(-)-Epichlorohydrin

C₃H₅ClOCAS 51594-55-992.52 g/mol

Open in Covalent MOL file

Alkyl halide Epoxide Ether

Properties

Molecular formula: C₃H₅ClO
Molar mass: 92.52 g/mol
Exact mass: 92.0029 Da
Boiling point: 118 °C
logP: 0.62Crippen estimate
Polar surface area: 12.5 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1
Stereocentres: Rin SMILES atom order

Hazards

Danger

H226 Flammable liquid and vaporFlammable liquids
H301 Toxic if swallowedAcute toxicity, oral
H311 Toxic in contact with skinAcute toxicity, dermal
H314 Causes severe skin burns and eye damageSkin corrosion/irritation
H317 May cause an allergic skin reactionSensitization, Skin
H331 Toxic if inhaledAcute toxicity, inhalation
H350 May cause cancerCarcinogenicity

Harmonised EU classification (CLP Annex VI, index 603-166-00-8), via PubChem.

Precautionary statements

P203, P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P270, P271, P272, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P318, P321, P330, P333+P317, P361+P364, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

51594-55-9

SMILES

ClC[C@H]1CO1

InChIKey

BRLQWZUYTZBJKN-VKHMYHEASA-N

InChI

InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2/t3-/m0/s1

Characterization data

Calculated from the structure, in the form journals print them.

[M + H]+

[M + H]+ Calcd for C3H6ClO 93.0102

[M + Na]+

[M + Na]+ Calcd for C3H5ClNaO 114.9921

[M − H]−

[M − H]− Calcd for C3H4ClO 90.9956

Elemental analysis

Anal. Calcd for C3H5ClO: C, 38.95; H, 5.45.

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names

Oxirane, 2-(chloromethyl)-, (2R)-
Oxirane, (chloromethyl)-, (R)-
Oxirane, (chloromethyl)-, (2R)-
(2R)-2-(Chloromethyl)oxirane
(R)-Epichlorohydrin
(R)-1-Chloro-2,3-epoxypropane
(R)-(Chloromethyl)oxirane
(R)-(-)-Epichlorohydrin
(R)-2-(Chloromethyl)oxirane
(-)-2-(Chloromethyl)oxirane
(R)-3-Chloro-1,2-epoxypropane
(R)-(-)-2-(Chloromethyl)oxirane

Work with (-)-Epichlorohydrin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(+)-Epichlorohydrin67843-74-7Enantiomer Epichlorohydrin106-89-8Stereo not defined Poly(epichlorohydrin)24969-06-0Stereo not defined

Similar compounds

Epichlorohydrin-α-hydro-ω-hydroxypoly(oxy-1,2-ethanediyl) polymer39443-66-874 % similar Dimethylamine-epichlorohydrin copolymer25988-97-070 % similar Trimethylolpropane-epichlorohydrin copolymer30499-70-852 % similar Sevelamer hydrochloride152751-57-050 % similar 1,2:5,6-Diepoxyhexane1888-89-747 % similar Hydrogenated bisphenol-A epoxy resin30583-72-347 % similar 2-Chloromethyl tetrahydrofuran3003-84-745 % similar Triglycidylglycerol13236-02-744 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Chloroacetone78-95-5 Propionyl chloride79-03-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook